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Chemical structure of Tetrachlorocatechol

GC61324

Tetrachlorocatechol

Also known as 3,4,5,6-tetrachlorobenzene-1,2-diol

Tetrachlorocatechol is a metabolite of pentachlorophenol

ChemicalCAS1198-55-6MW247.89FormulaC6H2Cl4O2
CAS number
1198-55-6
Molecular weight
247.89
Formula
C6H2Cl4O2
Solubility
DMSO ： 100 mg/mL (403·40 mM; Need ultrasonic)
InChIKey
RRBMVWQICIXSEO-UHFFFAOYSA-N
Catalogue number
GC61324
Brand
GLPBIO
Computed properties PubChem CID 14537 · XLogP 4.3 · TPSA 40.5 Ų · H-bond donors 2
XLogP
4.3
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

SMILES C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O

Computed descriptors from PubChem (CID 14537), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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